#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1efi n PRO 2 N 0.00 0.92 -0.00 0.00 -0.04 -1.26 -4.94 135.00 129.67 1efi n PRO 2 Ca 0.00 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 1efi n PRO 2 Cb 0.00 -2.46 -0.13 0.00 -0.04 0.00 0.00 33.50 30.87 1efi n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1efi n GLN 3 N -2.01 0.35 -4.07 0.54 6.02 -1.26 -4.97 117.38 111.98 1efi n GLN 3 Ca 0.15 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 1efi n GLN 3 Cb 0.48 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.19 1efi n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1efi s THR 4 N -3.10 0.03 0.27 5.09 -4.23 -1.26 -5.03 115.64 107.42 1efi s THR 4 Ca 0.03 -1.65 0.16 0.00 -1.18 0.00 0.00 61.69 59.05 1efi s THR 4 Cb 0.15 -2.16 0.10 0.00 1.34 0.00 0.00 72.50 71.93 1efi s THR 4 CO 0.85 -0.15 1.76 -0.29 -0.54 0.00 0.00 174.62 176.25 1efi h ILE 5 N 2.54 1.09 -0.04 2.99 2.10 -1.96 -1.87 117.51 122.36 1efi h ILE 5 Ca -0.32 -1.51 -0.01 0.00 1.08 0.00 0.00 64.86 64.10 1efi h ILE 5 Cb 1.24 1.86 -0.00 0.00 -1.09 0.00 0.00 36.82 38.83 1efi h ILE 5 CO 0.48 0.40 -0.01 0.74 -1.08 0.00 0.00 178.15 178.68 1efi h THR 6 N 0.00 1.31 -0.78 2.19 2.02 -1.99 0.44 112.91 116.10 1efi h THR 6 Ca -0.00 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1efi h THR 6 Cb 0.83 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 1efi h THR 6 CO 0.05 0.26 0.50 -0.08 0.37 0.00 0.00 175.52 176.62 1efi h GLU 7 N -0.29 1.04 -0.33 6.66 4.81 -1.93 -1.89 114.58 122.65 1efi h GLU 7 Ca 0.01 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1efi h GLU 7 Cb 0.42 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1efi h GLU 7 CO 0.00 0.70 0.09 1.25 -0.73 0.00 0.00 179.01 180.33 1efi h LEU 8 N 1.06 0.49 -1.21 1.64 6.46 -1.23 -2.95 115.31 119.57 1efi h LEU 8 Ca 0.28 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.86 1efi h LEU 8 Cb -0.09 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.66 1efi h LEU 8 CO -0.06 0.58 0.55 0.00 -0.62 0.00 0.00 178.44 178.89 1efi n SER 10 N -4.44 0.50 -0.04 0.00 3.41 -0.76 -2.38 113.62 109.91 1efi n SER 10 Ca 0.11 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 1efi n SER 10 Cb 0.10 -0.75 0.62 0.00 -0.26 0.00 0.00 64.21 63.92 1efi n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1efi n GLU 11 N -2.09 0.36 -4.37 4.33 1.02 -0.71 -4.89 120.64 114.29 1efi n GLU 11 Ca 0.01 -0.08 -0.24 0.00 -0.02 0.00 0.00 57.16 56.84 1efi n GLU 11 Cb 0.16 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.00 1efi n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1efi s TYR 12 N -2.70 2.52 0.44 -0.32 1.51 -1.00 -5.14 117.35 112.67 1efi s TYR 12 Ca 0.23 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.01 1efi s TYR 12 Cb 0.20 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1efi s TYR 12 CO 0.51 0.64 0.68 1.03 -1.11 0.00 0.00 175.55 177.30 1efi s ARG 13 N -3.49 3.25 -1.44 -0.62 0.52 -1.26 -4.40 118.95 111.51 1efi s ARG 13 Ca 0.30 -0.29 -0.10 0.00 -0.52 0.00 0.00 55.73 55.12 1efi s ARG 13 Cb -0.06 -2.53 0.06 0.00 0.52 0.00 0.00 34.95 32.94 1efi s ARG 13 CO 0.17 -0.18 0.70 0.09 0.02 0.00 0.00 175.30 176.11 1efi n ASN 14 N -2.07 -4.64 -4.41 0.23 3.02 -1.26 -4.93 115.26 101.20 1efi n ASN 14 Ca -0.00 -0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 1efi n ASN 14 Cb 0.57 -3.76 -0.10 0.00 -0.61 0.00 0.00 39.78 35.87 1efi n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1efi s THR 15 N -3.12 1.56 0.05 3.41 -4.23 -1.26 -0.13 115.64 111.92 1efi s THR 15 Ca 0.49 -2.11 -0.27 0.00 -1.18 0.00 0.00 61.69 58.61 1efi s THR 15 Cb -0.24 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.23 1efi s THR 15 CO 0.60 -0.31 0.64 0.00 -0.54 0.00 0.00 174.62 175.02 1efi s GLN 16 N -3.74 1.16 0.09 3.99 -2.07 -0.32 -4.85 119.66 113.91 1efi s GLN 16 Ca 0.29 -0.08 -0.19 0.00 -1.82 0.00 0.00 55.36 53.56 1efi s GLN 16 Cb 0.04 0.54 -0.07 0.00 -1.09 0.00 0.00 33.01 32.43 1efi s GLN 16 CO 0.11 -0.44 0.58 0.42 -1.32 0.00 0.00 175.29 174.64 1efi s ILE 17 N -2.39 4.74 -0.21 3.63 -1.09 -1.26 -1.00 121.20 123.62 1efi s ILE 17 Ca -0.05 1.17 0.02 0.00 -2.23 0.00 0.00 60.65 59.56 1efi s ILE 17 Cb -0.00 -3.88 0.04 0.00 -1.58 0.00 0.00 42.46 37.03 1efi s ILE 17 CO -0.01 0.50 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.73 1efi s TYR 18 N -1.18 2.90 -0.21 3.97 1.51 0.23 -4.96 117.35 119.60 1efi s TYR 18 Ca 0.31 -1.87 -0.25 0.00 -1.01 0.00 0.00 57.07 54.25 1efi s TYR 18 Cb -0.19 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1efi s TYR 18 CO 0.19 -0.82 0.85 0.95 -1.11 0.00 0.00 175.55 175.61 1efi s THR 19 N 1.24 4.84 -0.18 -0.71 -4.23 -1.26 -1.28 115.64 114.05 1efi s THR 19 Ca -0.00 1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 61.98 1efi s THR 19 Cb -0.16 -4.14 -0.07 0.00 1.34 0.00 0.00 72.50 69.47 1efi s THR 19 CO -0.10 -0.05 -0.34 -0.38 -0.54 0.00 0.00 174.62 173.21 1efi n ILE 20 N 5.08 1.49 -3.91 2.99 2.08 0.11 -5.00 119.36 122.20 1efi n ILE 20 Ca 0.06 0.08 -0.27 0.00 0.56 0.00 0.00 62.75 63.19 1efi n ILE 20 Cb 0.48 -2.27 -0.01 0.00 -0.75 0.00 0.00 39.64 37.09 1efi n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1efi n ASN 21 N -4.40 -1.08 -3.46 4.38 4.05 0.54 -4.94 115.26 110.34 1efi n ASN 21 Ca -0.19 -1.01 -0.11 0.00 0.45 0.00 0.00 54.58 53.73 1efi n ASN 21 Cb 0.55 -3.08 -0.02 0.00 1.23 0.00 0.00 39.78 38.46 1efi n ASN 21 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1efi s ASP 22 N -4.23 -0.48 0.63 1.20 2.15 -0.95 -4.91 116.67 110.09 1efi s ASP 22 Ca 0.08 0.03 -0.10 0.00 0.43 0.00 0.00 52.55 52.99 1efi s ASP 22 Cb -0.03 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.07 1efi s ASP 22 CO 0.89 -0.79 1.01 -1.59 -0.17 0.00 0.00 175.17 174.52 1efi s LYS 23 N -3.33 3.21 0.17 4.34 -2.85 -1.26 0.10 119.74 120.13 1efi s LYS 23 Ca 0.02 0.48 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 1efi s LYS 23 Cb -0.01 -2.12 -0.08 0.00 -2.06 0.00 0.00 37.83 33.56 1efi s LYS 23 CO -0.10 -0.73 1.23 0.42 0.10 0.00 0.00 175.35 176.27 1efi s ILE 24 N -3.18 3.51 -0.13 3.79 1.01 -1.26 -4.77 121.20 120.17 1efi s ILE 24 Ca 0.55 1.24 -0.26 0.00 0.00 0.00 0.00 60.65 62.18 1efi s ILE 24 Cb -0.11 -3.79 -0.23 0.00 0.01 0.00 0.00 42.46 38.34 1efi s ILE 24 CO 0.51 0.18 0.69 0.25 0.00 0.00 0.00 174.94 176.57 1efi h LEU 25 N 5.47 -0.00 -8.19 2.97 5.85 -0.88 -3.47 115.31 117.06 1efi h LEU 25 Ca -0.44 -0.88 -0.29 0.00 0.84 0.00 0.00 57.88 57.11 1efi h LEU 25 Cb 1.21 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.03 1efi h LEU 25 CO 0.76 0.94 -0.74 -0.94 -0.34 0.00 0.00 178.44 178.12 1efi s SER 26 N -6.14 0.93 -0.09 1.25 1.04 -1.11 -4.97 113.70 104.62 1efi s SER 26 Ca -0.17 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 55.73 1efi s SER 26 Cb -0.03 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.13 1efi s SER 26 CO 0.61 -0.19 -0.14 -0.47 0.98 0.00 0.00 173.24 174.04 1efi s TYR 27 N -1.36 1.73 -0.05 5.02 5.04 -1.26 -1.82 117.35 124.65 1efi s TYR 27 Ca -0.09 -0.73 0.04 0.00 -2.44 0.00 0.00 57.07 53.84 1efi s TYR 27 Cb -0.10 -1.26 0.00 0.00 0.35 0.00 0.00 41.96 40.95 1efi s TYR 27 CO 0.01 -0.38 -0.15 0.99 -1.34 0.00 0.00 175.55 174.68 1efi s THR 28 N 0.85 1.28 -0.04 4.34 2.01 -0.15 -5.00 115.64 118.93 1efi s THR 28 Ca -0.10 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.30 1efi s THR 28 Cb -0.15 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.25 1efi s THR 28 CO 0.01 0.38 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.54 1efi s GLU 29 N 0.22 1.04 -0.03 4.92 2.12 -1.26 -0.85 118.70 124.85 1efi s GLU 29 Ca -0.07 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.06 1efi s GLU 29 Cb -0.12 -0.96 -0.01 0.00 0.26 0.00 0.00 34.13 33.30 1efi s GLU 29 CO 0.03 0.03 -0.20 0.45 -0.54 0.00 0.00 175.26 175.03 1efi s SER 30 N 0.50 2.38 -0.09 -1.70 0.15 -0.44 -4.99 113.70 109.51 1efi s SER 30 Ca -0.08 -0.38 0.13 0.00 0.70 0.00 0.00 55.95 56.32 1efi s SER 30 Cb -0.12 -0.46 0.32 0.00 -1.71 0.00 0.00 66.02 64.06 1efi s SER 30 CO 0.01 0.21 1.24 1.15 1.20 0.00 0.00 173.24 177.06 1efi n MET 31 N 2.83 2.57 -2.32 5.44 0.00 -1.26 -2.82 117.12 121.55 1efi n MET 31 Ca -0.16 -2.34 -0.40 0.00 0.00 0.00 0.00 57.70 54.80 1efi n MET 31 Cb 0.53 -1.47 -0.03 0.00 0.00 0.00 0.00 33.22 32.25 1efi n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1efi s ALA 32 N -2.03 3.40 0.13 3.17 0.00 -1.26 -4.85 121.76 120.32 1efi s ALA 32 Ca 0.27 1.03 -0.35 0.00 0.00 0.00 0.00 51.96 52.92 1efi s ALA 32 Cb 0.21 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.79 1efi s ALA 32 CO 0.08 -0.38 1.51 0.41 0.00 0.00 0.00 175.76 177.38 1efi n GLY 33 N 0.97 0.93 3.39 0.00 0.00 -1.26 -0.65 105.19 108.57 1efi n GLY 33 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1efi n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1efi n LYS 34 N 3.21 0.00 -2.18 1.61 4.76 -1.26 -4.80 118.16 119.49 1efi n LYS 34 Ca 0.18 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1efi n LYS 34 Cb 0.26 -2.83 0.05 0.00 -1.84 0.00 0.00 35.03 30.66 1efi n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1efi n ARG 35 N -2.00 2.57 -2.48 1.97 5.12 0.18 -4.97 116.66 117.05 1efi n ARG 35 Ca 0.00 -3.74 -0.39 0.00 -1.93 0.00 0.00 57.85 51.79 1efi n ARG 35 Cb 0.00 -1.86 -0.03 0.00 -1.16 0.00 0.00 32.46 29.42 1efi n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1efi s GLU 36 N -3.45 3.49 0.34 5.56 8.01 -1.11 -4.30 118.70 127.24 1efi s GLU 36 Ca 0.40 -1.18 -0.01 0.00 0.01 0.00 0.00 54.97 54.19 1efi s GLU 36 Cb 0.37 -5.35 -0.00 0.00 -4.31 0.00 0.00 34.13 24.84 1efi s GLU 36 CO -0.01 -2.44 0.45 0.00 0.01 0.00 0.00 175.26 173.26 1efi s MET 37 N 5.17 1.89 -0.02 1.61 0.23 -1.13 -4.29 119.30 122.75 1efi s MET 37 Ca 0.52 -1.79 0.03 0.00 -1.03 0.00 0.00 55.69 53.41 1efi s MET 37 Cb -0.00 0.43 -0.00 0.00 -1.53 0.00 0.00 34.83 33.72 1efi s MET 37 CO -0.04 -0.77 -0.10 0.08 -2.03 0.00 0.00 175.02 172.15 1efi s VAL 38 N -3.11 0.87 -0.06 5.16 1.01 -1.23 -1.32 120.40 121.71 1efi s VAL 38 Ca 0.32 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1efi s VAL 38 Cb 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1efi s VAL 38 CO 0.21 0.26 -0.19 -0.63 0.00 0.00 0.00 175.10 174.75 1efi s ILE 39 N 0.03 1.58 0.10 2.22 1.01 -0.03 -1.66 121.20 124.45 1efi s ILE 39 Ca -0.01 -0.78 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1efi s ILE 39 Cb -0.07 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.00 1efi s ILE 39 CO 0.00 0.45 -0.21 0.27 0.00 0.00 0.00 174.94 175.45 1efi s ILE 40 N 0.12 1.75 0.15 2.92 -4.36 0.09 -0.98 121.20 120.89 1efi s ILE 40 Ca -0.07 -1.55 0.05 0.00 -0.26 0.00 0.00 60.65 58.82 1efi s ILE 40 Cb -0.13 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1efi s ILE 40 CO 0.03 -0.04 -0.11 0.42 0.24 0.00 0.00 174.94 175.48 1efi s THR 41 N -1.14 1.27 0.15 8.37 -4.23 -0.76 -1.10 115.64 118.20 1efi s THR 41 Ca 0.07 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.64 1efi s THR 41 Cb -0.10 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1efi s THR 41 CO 0.04 -0.66 -0.16 -0.36 -0.54 0.00 0.00 174.62 172.93 1efi s PHE 42 N -3.04 1.66 0.62 3.99 0.08 -0.81 -0.14 117.98 120.33 1efi s PHE 42 Ca 0.16 -0.51 0.30 0.00 0.12 0.00 0.00 56.93 57.00 1efi s PHE 42 Cb 0.01 -0.83 1.63 0.00 -0.57 0.00 0.00 43.02 43.26 1efi s PHE 42 CO 0.02 0.26 1.99 1.57 -0.10 0.00 0.00 175.22 178.96 1efi h LYS 43 N 3.29 0.00 0.00 0.44 2.10 -1.90 0.56 116.57 121.06 1efi h LYS 43 Ca -0.41 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1efi h LYS 43 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1efi h LYS 43 CO 0.52 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 178.62 1efi h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.46 113.55 119.82 1efi h SER 44 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1efi h SER 44 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1efi h SER 44 CO -0.00 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1efi n GLY 45 N -0.45 0.72 3.81 -0.77 0.00 0.20 -5.07 105.19 103.63 1efi n GLY 45 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1efi n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1efi s GLU 46 N -0.91 4.19 -0.03 1.61 0.41 -1.24 -4.88 118.70 117.86 1efi s GLU 46 Ca 0.00 1.18 0.02 0.00 -0.41 0.00 0.00 54.97 55.76 1efi s GLU 46 Cb 0.00 -2.22 0.01 0.00 -1.78 0.00 0.00 34.13 30.13 1efi s GLU 46 CO 0.00 -0.07 -0.09 0.99 -0.49 0.00 0.00 175.26 175.61 1efi s THR 47 N -2.09 0.78 0.10 3.63 2.01 -1.26 -1.93 115.64 116.88 1efi s THR 47 Ca 0.62 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1efi s THR 47 Cb -0.11 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1efi s THR 47 CO 0.15 0.25 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.89 1efi s PHE 48 N 0.31 0.96 0.14 4.92 0.08 -0.25 -3.83 117.98 120.29 1efi s PHE 48 Ca -0.05 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.22 1efi s PHE 48 Cb -0.10 -0.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1efi s PHE 48 CO 0.01 -0.08 -0.08 1.14 -0.10 0.00 0.00 175.22 176.11 1efi s GLN 49 N -3.45 1.01 -0.26 0.44 -2.07 -0.51 -0.73 119.66 114.09 1efi s GLN 49 Ca 0.10 -1.43 -0.05 0.00 -1.82 0.00 0.00 55.36 52.15 1efi s GLN 49 Cb 0.02 -0.47 0.00 0.00 -1.09 0.00 0.00 33.01 31.47 1efi s GLN 49 CO -0.03 0.02 0.02 0.08 -1.32 0.00 0.00 175.29 174.07 1efi s VAL 50 N -3.45 3.70 0.75 3.63 1.01 -0.66 -0.94 120.40 124.43 1efi s VAL 50 Ca 0.16 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1efi s VAL 50 Cb 0.04 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.65 1efi s VAL 50 CO -0.00 0.23 1.17 -1.61 0.00 0.00 0.00 175.10 174.88 1efi s GLU 51 N 1.49 2.11 0.25 2.72 2.02 -1.26 -3.58 118.70 122.45 1efi s GLU 51 Ca 0.04 1.59 -0.30 0.00 0.02 0.00 0.00 54.97 56.32 1efi s GLU 51 Cb -0.16 -1.85 -0.10 0.00 0.10 0.00 0.00 34.13 32.13 1efi s GLU 51 CO 0.00 -1.82 1.34 0.08 0.02 0.00 0.00 175.26 174.88 1efi s VAL 52 N -2.25 2.93 0.19 2.63 1.01 -1.26 -4.91 120.40 118.74 1efi s VAL 52 Ca 0.70 0.82 -0.33 0.00 0.00 0.00 0.00 61.98 63.17 1efi s VAL 52 Cb -0.25 -3.52 -0.14 0.00 0.00 0.00 0.00 36.38 32.47 1efi s VAL 52 CO 0.47 0.15 1.56 -2.65 0.00 0.00 0.00 175.10 174.63 1efi n PRO 53 N 2.01 2.20 -2.15 2.72 -0.02 -1.26 -4.96 135.00 133.54 1efi n PRO 53 Ca 0.04 0.79 -0.03 0.00 -2.02 0.00 0.00 63.50 62.28 1efi n PRO 53 Cb 0.42 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.34 1efi n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1efi n GLY 54 N 3.17 3.11 0.33 -1.23 0.00 -1.26 -5.02 105.19 104.28 1efi n GLY 54 Ca 0.15 -1.49 0.21 0.00 0.00 0.00 0.00 46.02 44.90 1efi n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1efi h SER 55 N 0.41 0.00 0.77 1.61 4.64 -2.03 -1.28 113.55 117.68 1efi h SER 55 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1efi h SER 55 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1efi h SER 55 CO 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1efi n GLN 56 N -3.26 0.05 -3.89 4.77 0.00 -1.26 -4.77 117.38 109.03 1efi n GLN 56 Ca -0.03 0.08 -0.37 0.00 0.00 0.00 0.00 57.00 56.68 1efi n GLN 56 Cb 0.08 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.76 1efi n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1efi s HIS 57 N -2.94 3.59 0.53 2.61 3.76 -0.48 -5.11 115.29 117.26 1efi s HIS 57 Ca 0.13 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.57 1efi s HIS 57 Cb 0.16 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.93 1efi s HIS 57 CO 0.43 0.73 0.76 0.96 -0.85 0.00 0.00 174.74 176.78 1efi s ILE 58 N -1.03 3.13 0.20 0.60 -4.36 -1.26 -4.90 121.20 113.58 1efi s ILE 58 Ca 0.15 -0.55 -0.14 0.00 -0.26 0.00 0.00 60.65 59.85 1efi s ILE 58 Cb -0.12 -3.18 0.22 0.00 1.25 0.00 0.00 42.46 40.63 1efi s ILE 58 CO 0.04 -0.13 1.63 0.44 0.24 0.00 0.00 174.94 177.16 1efi h ASP 59 N 0.12 -0.58 -0.04 4.36 3.32 -1.99 -1.93 116.42 119.68 1efi h ASP 59 Ca -0.44 0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1efi h ASP 59 Cb 1.28 0.38 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 1efi h ASP 59 CO 0.55 -0.20 0.08 0.77 -1.72 0.00 0.00 179.24 178.71 1efi h SER 60 N -0.01 0.00 1.78 6.45 4.64 -2.05 -2.24 113.55 122.12 1efi h SER 60 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1efi h SER 60 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1efi h SER 60 CO -0.63 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 176.89 1efi h GLN 61 N 0.00 0.00 -0.30 4.77 4.20 -1.73 -3.36 115.11 118.69 1efi h GLN 61 Ca 0.02 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.77 1efi h GLN 61 Cb 0.17 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1efi h GLN 61 CO -0.00 0.00 0.05 0.87 -0.67 0.00 0.00 178.83 179.08 1efi h LYS 62 N 0.00 0.16 0.00 1.46 1.57 -1.49 0.37 116.57 118.63 1efi h LYS 62 Ca 0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1efi h LYS 62 Cb 0.89 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1efi h LYS 62 CO 0.00 0.10 -0.62 1.57 -0.57 0.00 0.00 179.45 179.93 1efi h LYS 63 N 0.16 0.00 -0.20 3.15 2.10 -1.78 -2.94 116.57 117.06 1efi h LYS 63 Ca 0.14 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.65 1efi h LYS 63 Cb 0.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.47 1efi h LYS 63 CO -0.19 0.62 -0.47 0.00 -2.00 0.00 0.00 179.45 177.42 1efi h ALA 64 N 1.38 0.82 -0.24 0.07 0.00 -1.44 -1.49 119.26 118.36 1efi h ALA 64 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1efi h ALA 64 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1efi h ALA 64 CO 0.08 0.66 0.10 0.82 0.00 0.00 0.00 179.25 180.92 1efi h ILE 65 N 0.41 1.16 -0.63 0.00 2.04 -0.17 -1.09 117.51 119.23 1efi h ILE 65 Ca 0.02 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 1efi h ILE 65 Cb 0.98 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1efi h ILE 65 CO 0.09 0.16 0.19 -0.33 0.00 0.00 0.00 178.15 178.26 1efi h GLU 66 N 0.24 0.95 -0.31 2.37 4.39 -1.34 -2.45 114.58 118.43 1efi h GLU 66 Ca 0.08 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1efi h GLU 66 Cb 0.15 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1efi h GLU 66 CO -0.01 0.82 0.10 -0.09 -1.16 0.00 0.00 179.01 178.67 1efi h ARG 67 N 0.92 0.48 -0.84 2.33 2.43 -1.09 -1.26 114.38 117.35 1efi h ARG 67 Ca 0.21 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1efi h ARG 67 Cb 0.27 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 1efi h ARG 67 CO -0.01 0.53 0.50 1.98 -1.51 0.00 0.00 179.97 181.46 1efi h MET 68 N 0.35 0.84 -0.52 0.20 4.05 -0.92 0.27 114.93 119.21 1efi h MET 68 Ca 0.10 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.37 1efi h MET 68 Cb 0.24 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1efi h MET 68 CO -0.00 0.56 -0.09 0.87 0.23 0.00 0.00 176.91 178.48 1efi h LYS 69 N 0.87 0.95 -0.42 0.39 1.57 -1.20 -0.72 116.57 118.00 1efi h LYS 69 Ca 0.39 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1efi h LYS 69 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1efi h LYS 69 CO -0.22 0.99 0.25 -0.44 -0.57 0.00 0.00 179.45 179.46 1efi h ASP 70 N 0.85 0.51 -0.68 0.86 3.32 0.14 -2.06 116.42 119.36 1efi h ASP 70 Ca 0.14 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.13 1efi h ASP 70 Cb 0.62 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1efi h ASP 70 CO 0.04 0.43 0.45 0.74 -1.72 0.00 0.00 179.24 179.18 1efi h THR 71 N 0.56 1.17 -0.68 0.35 2.02 -0.13 -2.08 112.91 114.12 1efi h THR 71 Ca 0.15 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1efi h THR 71 Cb 0.01 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1efi h THR 71 CO -0.03 0.17 0.17 -0.07 0.37 0.00 0.00 175.52 176.13 1efi h LEU 72 N 0.92 1.02 0.21 2.58 3.38 -0.88 0.04 115.31 122.58 1efi h LEU 72 Ca 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1efi h LEU 72 Cb -0.10 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.39 1efi h LEU 72 CO -0.06 0.97 -0.10 -0.09 0.09 0.00 0.00 178.44 179.26 1efi h ARG 73 N 1.03 -0.27 -0.34 1.13 2.43 -1.05 -0.84 114.38 116.47 1efi h ARG 73 Ca 0.22 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1efi h ARG 73 Cb 0.35 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1efi h ARG 73 CO 0.00 -0.00 -0.04 0.97 -1.51 0.00 0.00 179.97 179.39 1efi h ILE 74 N -0.53 1.21 -0.46 1.20 6.09 -1.35 -0.13 117.51 123.54 1efi h ILE 74 Ca -0.03 -0.88 -0.08 0.00 -1.37 0.00 0.00 64.86 62.50 1efi h ILE 74 Cb 0.40 1.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.67 1efi h ILE 74 CO 0.05 0.30 -0.03 0.74 -3.07 0.00 0.00 178.15 176.13 1efi h THR 75 N 0.52 1.27 0.02 2.19 2.02 -0.96 -1.22 112.91 116.75 1efi h THR 75 Ca 0.11 -1.11 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1efi h THR 75 Cb 0.39 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1efi h THR 75 CO 0.02 0.38 -0.01 0.22 0.37 0.00 0.00 175.52 176.50 1efi h TYR 76 N 0.69 -0.03 -0.22 3.16 3.20 -0.64 -1.89 116.97 121.23 1efi h TYR 76 Ca 0.13 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1efi h TYR 76 Cb 0.55 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1efi h TYR 76 CO 0.04 0.14 0.15 -0.07 -1.64 0.00 0.00 178.16 176.78 1efi h LEU 77 N -0.19 0.23 -1.28 2.82 3.38 -0.92 -2.23 115.31 117.11 1efi h LEU 77 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1efi h LEU 77 Cb 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1efi h LEU 77 CO 0.01 0.17 -0.02 0.35 0.09 0.00 0.00 178.44 179.04 1efi n THR 78 N -4.50 0.00 -2.45 0.22 -2.24 -0.47 -4.93 114.28 99.90 1efi n THR 78 Ca 0.01 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 1efi n THR 78 Cb 0.10 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1efi n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1efi n GLU 79 N 0.55 -1.97 -2.23 -0.78 1.02 -0.80 -4.94 120.64 111.48 1efi n GLU 79 Ca 0.17 0.95 -0.41 0.00 -0.02 0.00 0.00 57.16 57.84 1efi n GLU 79 Cb 0.44 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.21 1efi n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1efi s THR 80 N -2.99 3.24 0.17 2.62 2.01 -0.78 -4.77 115.64 115.13 1efi s THR 80 Ca 0.02 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.74 1efi s THR 80 Cb -0.01 -3.65 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 1efi s THR 80 CO 0.03 0.15 1.09 -0.54 -0.69 0.00 0.00 174.62 174.66 1efi s LYS 81 N -0.12 4.60 -0.08 4.92 1.02 -1.26 -4.39 119.74 124.43 1efi s LYS 81 Ca 0.56 1.69 -0.15 0.00 0.02 0.00 0.00 55.97 58.10 1efi s LYS 81 Cb -0.36 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 1efi s LYS 81 CO 0.38 0.08 0.37 0.42 -0.92 0.00 0.00 175.35 175.68 1efi s ILE 82 N -0.17 5.17 -0.02 2.17 1.01 0.12 -4.53 121.20 124.94 1efi s ILE 82 Ca 0.49 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.88 1efi s ILE 82 Cb -0.29 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 1efi s ILE 82 CO 0.34 0.48 -0.01 -0.78 0.00 0.00 0.00 174.94 174.97 1efi h ASP 83 N 5.66 0.00 -4.52 3.58 3.58 -1.16 0.16 116.42 123.73 1efi h ASP 83 Ca -0.47 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 56.73 1efi h ASP 83 Cb 1.20 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.10 1efi h ASP 83 CO 0.68 0.11 -0.69 -0.54 -2.88 0.00 0.00 179.24 175.91 1efi s LYS 84 N -1.15 0.92 -0.03 0.28 1.02 -1.10 0.04 119.74 119.73 1efi s LYS 84 Ca -0.01 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 54.61 1efi s LYS 84 Cb 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1efi s LYS 84 CO 0.01 -0.03 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.80 1efi s LEU 85 N -3.09 1.77 -0.27 3.17 1.43 -0.40 -1.27 118.68 120.02 1efi s LEU 85 Ca 0.15 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 1efi s LEU 85 Cb 0.05 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 1efi s LEU 85 CO -0.02 0.07 0.17 0.00 0.23 0.00 0.00 176.35 176.79 1efi s VAL 87 N 1.56 1.36 -0.14 0.00 -7.23 -0.17 0.04 120.40 115.81 1efi s VAL 87 Ca 0.07 -1.62 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 1efi s VAL 87 Cb -0.15 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 1efi s VAL 87 CO 0.09 -0.33 0.75 0.26 -0.31 0.00 0.00 175.10 175.56 1efi s TRP 88 N -1.83 3.47 -0.72 2.82 0.51 0.16 -1.17 118.94 122.16 1efi s TRP 88 Ca 0.07 1.20 0.13 0.00 -2.12 0.00 0.00 56.10 55.37 1efi s TRP 88 Cb -0.07 -2.91 0.64 0.00 -0.81 0.00 0.00 33.47 30.33 1efi s TRP 88 CO 0.03 -0.12 1.50 0.27 -0.51 0.00 0.00 176.95 178.12 1efi n ASN 89 N 4.70 4.51 -1.58 2.95 0.23 0.82 -1.78 115.26 125.11 1efi n ASN 89 Ca 0.01 -2.60 0.06 0.00 -0.53 0.00 0.00 54.58 51.52 1efi n ASN 89 Cb 0.50 -0.60 0.34 0.00 -2.08 0.00 0.00 39.78 37.94 1efi n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1efi n ASN 90 N 0.66 4.99 -4.10 0.53 6.94 -1.26 -4.93 115.26 118.09 1efi n ASN 90 Ca 0.22 -3.02 -0.10 0.00 -0.02 0.00 0.00 54.58 51.65 1efi n ASN 90 Cb 0.91 -0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 37.58 1efi n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1efi s LYS 91 N -2.84 0.64 -0.13 -3.83 -0.14 -1.26 -5.08 119.74 107.11 1efi s LYS 91 Ca 0.51 -1.06 -0.00 0.00 -1.36 0.00 0.00 55.97 54.05 1efi s LYS 91 Cb 0.40 -0.11 0.03 0.00 -1.68 0.00 0.00 37.83 36.47 1efi s LYS 91 CO 0.13 -0.02 -0.07 0.99 -0.76 0.00 0.00 175.35 175.62 1efi s THR 92 N -2.79 1.03 0.94 2.17 2.01 -1.26 -2.99 115.64 114.75 1efi s THR 92 Ca 0.01 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1efi s THR 92 Cb -0.00 -1.09 0.16 0.00 0.01 0.00 0.00 72.50 71.57 1efi s THR 92 CO -0.04 0.30 1.10 -2.16 -0.69 0.00 0.00 174.62 173.13 1efi s PRO 93 N 1.70 0.89 0.28 4.92 0.04 -1.26 -5.06 135.00 136.51 1efi s PRO 93 Ca 0.04 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1efi s PRO 93 Cb -0.13 -1.78 -0.14 0.00 0.04 0.00 0.00 34.50 32.49 1efi s PRO 93 CO -0.08 -2.44 1.18 0.09 0.04 0.00 0.00 177.00 175.80 1efi n ASN 94 N -3.98 2.00 -4.66 6.66 5.03 -1.16 -4.52 115.26 114.63 1efi n ASN 94 Ca 0.06 1.18 -0.38 0.00 0.87 0.00 0.00 54.58 56.30 1efi n ASN 94 Cb 0.57 -1.36 -0.08 0.00 -1.02 0.00 0.00 39.78 37.89 1efi n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1efi s SER 95 N -0.26 6.39 -0.00 6.41 0.15 -0.73 -1.42 113.70 124.24 1efi s SER 95 Ca 0.61 0.46 -0.30 0.00 0.70 0.00 0.00 55.95 57.42 1efi s SER 95 Cb -0.67 -2.22 -0.06 0.00 -1.71 0.00 0.00 66.02 61.36 1efi s SER 95 CO 0.58 -0.08 1.51 -0.63 1.20 0.00 0.00 173.24 175.82 1efi s ILE 96 N 1.39 3.55 -0.19 6.45 1.01 -0.12 0.36 121.20 133.65 1efi s ILE 96 Ca 0.18 0.88 0.05 0.00 0.00 0.00 0.00 60.65 61.76 1efi s ILE 96 Cb -0.15 -3.57 -0.15 0.00 0.01 0.00 0.00 42.46 38.60 1efi s ILE 96 CO 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 174.94 174.88 1efi n ALA 97 N 5.88 1.57 -3.29 9.38 0.00 0.11 -4.86 120.51 129.29 1efi n ALA 97 Ca 0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 53.44 52.55 1efi n ALA 97 Cb 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1efi n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1efi s ALA 98 N -2.41 -0.95 0.01 0.00 0.00 -0.96 -4.98 121.76 112.47 1efi s ALA 98 Ca -0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1efi s ALA 98 Cb 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1efi s ALA 98 CO 0.53 -0.79 0.05 -1.50 0.00 0.00 0.00 175.76 174.05 1efi s ILE 99 N -3.87 0.08 0.03 0.00 2.07 -1.26 -1.50 121.20 116.75 1efi s ILE 99 Ca 0.09 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 1efi s ILE 99 Cb -0.01 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.26 1efi s ILE 99 CO -0.04 -0.38 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.61 1efi s SER 100 N -1.21 0.69 -0.07 4.50 1.04 -0.40 -5.00 113.70 113.25 1efi s SER 100 Ca -0.13 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 55.83 1efi s SER 100 Cb -0.08 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.08 1efi s SER 100 CO 0.00 -0.14 0.19 0.00 0.98 0.00 0.00 173.24 174.27 1efi s MET 101 N -1.13 0.20 0.02 4.02 0.23 -1.26 -0.60 119.30 120.77 1efi s MET 101 Ca -0.07 0.29 0.07 0.00 -1.03 0.00 0.00 55.69 54.96 1efi s MET 101 Cb -0.08 0.05 -0.02 0.00 -1.53 0.00 0.00 34.83 33.25 1efi s MET 101 CO 0.00 -0.05 -0.22 -1.59 -2.03 0.00 0.00 175.02 171.13 1efi s LYS 102 N 0.33 1.61 0.00 3.16 -2.85 -1.26 -4.91 119.74 115.82 1efi s LYS 102 Ca -0.02 -0.90 0.01 0.00 -1.00 0.00 0.00 55.97 54.06 1efi s LYS 102 Cb -0.03 -1.67 0.01 0.00 -2.06 0.00 0.00 37.83 34.08 1efi s LYS 102 CO -0.01 0.44 0.54 -1.71 0.10 0.00 0.00 175.35 174.71